TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T91661	Adenosine kinase	B0XE2Q	Chembl4209197	Investigative	145966583	C17H15NO4	297.3	CCN1C2=CC3=C(C=C2OC(C1=O)C4=CC=CC=C4)OCO3	IC50 ~ 50000 nM	Poor binder
T91661	Adenosine kinase	B1JF2K	Chembl4212073	Investigative	145964815	C20H15NO4	333.3	CN1C2=CC3=C(C=C2OC(C1=O)C4=CC=CC5=CC=CC=C54)OCO3	IC50 ~ 50000 nM	Poor binder
T91661	Adenosine kinase	B6U2LS	6-Phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-one	Investigative	467445	C18H13NO2	275.3	C1=CC=C(C=C1)C2C(=O)C3=CC=CN3C4=CC=CC=C4O2	IC50 = 100000 nM	Poor binder
T91661	Adenosine kinase	B98NJC	Chembl4204838	Investigative	145975836	C26H18FNO4	427.4	C1OC2=C(O1)C=C3C(=C2)N(C(=O)C(O3)C4=CC=CC5=CC=CC=C54)CC6=CC=C(C=C6)F	IC50 ~ 50000 nM	Poor binder
T91661	Adenosine kinase	BBF82O	6-[4-[[3-[2-(Diethylamino)ethyl]phenoxy]methyl]phenyl]-6-ethylpyrrolo[2,1-d][1,5]benzoxazepin-7-one	Investigative	51350410	C33H36N2O3	508.6	CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=C(C=C4)COC5=CC=CC(=C5)CCN(CC)CC	IC50 = 200000 nM	Poor binder
T91661	Adenosine kinase	BC0R6N	Chembl4213595	Investigative	145964437	C22H17NO4	359.4	C1OC2=C(O1)C(=C3C(=C2)NC(=O)C(O3)C4=CC=CC=C4)CC5=CC=CC=C5	IC50 ~ 50000 nM	Poor binder
T91661	Adenosine kinase	BD3YQ2	Chembl4215567	Investigative	145972558	C17H15NO2	265.31	CC1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)OC(=O)C	IC50 = 50000 nM	Poor binder
T91661	Adenosine kinase	BIVA74	Chembl4217077	Investigative	145974229	C29H25FN2O3	468.5	C1COCCN1C2=CC3=C(C=C2)N(C(=O)C(O3)C4=CC=CC5=CC=CC=C54)CC6=CC=C(C=C6)F	IC50 ~ 50000 nM	Poor binder
T91661	Adenosine kinase	BL1M3E	6-Ethyl-6-(m-tolyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one	Investigative	393218	C21H19NO2	317.4	CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=CC(=C4)C	IC50 = 150000 nM	Poor binder
T91661	Adenosine kinase	BMK5Q8	Chembl4217051	Investigative	145973081	C21H17NO4	347.4	CCN1C2=CC3=C(C=C2OC(C1=O)C4=CC=CC5=CC=CC=C54)OCO3	IC50 ~ 50000 nM	Poor binder
T91661	Adenosine kinase	BN9W7H	Chembl4204332	Investigative	145977815	C16H13NO4	283.28	CN1C2=CC3=C(C=C2OC(C1=O)C4=CC=CC=C4)OCO3	IC50 ~ 50000 nM	Poor binder
T91661	Adenosine kinase	BNS76X	6-Ethyl-6-phenyl-pyrrolo[2,1-d][1,5]benzoxazepin-7-one	Investigative	385306	C20H17NO2	303.4	CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=CC=C4	IC50 = 85000 nM	Poor binder
T91661	Adenosine kinase	BS9L6C	[5-(6-Amino-9-phenethyl-9H-purin-8-yl)-furan-2-yl]-phosphonic Acid	Investigative	44591776	C17H16N5O4P	385.3	C1=CC=C(C=C1)CCN2C(=NC3=C(N=CN=C32)N)C4=CC=C(O4)P(=O)(O)O	IC50 ~ 100000 nM	Poor binder
T91661	Adenosine kinase	BT72PM	Chembl4214720	Investigative	11152016	C22H15NOS	341.4	C1=CC=C2C(=C1)C=CC=C2C3C(=O)C4=CC=CN4C5=CC=CC=C5S3	IC50 ~ 50000 nM	Poor binder
T91661	Adenosine kinase	BTL47O	5-(4-Amino-7-ethyl-5-fluoro-1-isobutyl-1H-benzo[d]imidazol-2-yl)furan-2-ylphosphonic acid	Investigative	9842886	C17H21FN3O4P	381.3	CCC1=CC(=C(C2=C1N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC(C)C)N)F	IC50 ~ 100000 nM	Poor binder
T91661	Adenosine kinase	BV4Z3R	5-Ethyl-5-p-tolyl-6-oxa-10b-aza-benzo[e]azulen-4-one	Investigative	10757852	C21H19NO2	317.4	CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=C(C=C4)C	IC50 = 80000 nM	Poor binder
T91661	Adenosine kinase	BXW3B2	6-Ethyl-6-[4-[[3-(2-pyrrolidin-1-ylethyl)phenoxy]methyl]phenyl]pyrrolo[2,1-d][1,5]benzoxazepin-7-one	Investigative	51350411	C33H34N2O3	506.6	CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC=C(C=C4)COC5=CC=CC(=C5)CCN6CCCC6	IC50 = 150000 nM	Poor binder
T91661	Adenosine kinase	BY1V4N	Chembl4203924	Investigative	145976797	C24H19NO3S	401.5	C1C(OC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54	IC50 = 57400 nM	Poor binder
T91661	Adenosine kinase	BZ9S4R	5-(6-Amino-9-neopentyl-9H-purin-8-yl)furan-2-ylphosphonic acid	Investigative	9798527	C14H18N5O4P	351.3	CC(C)(C)CN1C(=NC2=C(N=CN=C21)N)C3=CC=C(O3)P(=O)(O)O	IC50 ~ 100000 nM	Poor binder
T91661	Adenosine kinase	D08AWL	5-Phenyl-6-thia-10b-aza-benzo[e]azulen-4-one	Investigative	384831	C18H13NOS	291.4	C1=CC=C(C=C1)C2C(=O)C3=CC=CN3C4=CC=CC=C4S2	IC50 = 130000 nM	Poor binder